[2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 2-[(3,4-dichlorophenyl)sulfonylamino]acetate

C18H17Cl2N3O6S — CID 55324334

IUPAC[2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 2-[(3,4-dichlorophenyl)sulfonylamino]acetate
SMILESCNC(=O)NC(=O)C(OC(=O)CNS(=O)(=O)c1ccc(Cl)c(Cl)c1)c1ccccc1
InChIInChI=1S/C18H17Cl2N3O6S/c1-21-18(26)23-17(25)16(11-5-3-2-4-6-11)29-15(24)10-22-30(27,28)12-7-8-13(19)14(20)9-12/h2-9,16,22H,10H2,1H3,(H2,21,23,25,26)
InChIKeyLAHLKXOELLXDAT-UHFFFAOYSA-N
MW474.32 g/mol
LogP2.01
Rot. Bonds7

About [2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 2-[(3,4-dichlorophenyl)sulfonylamino]acetate

[2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 2-[(3,4-dichlorophenyl)sulfonylamino]acetate (PubChem CID 55324334) has the molecular formula C18H17Cl2N3O6S and a molecular weight of 474.32 g/mol. Its IUPAC name is [2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 2-[(3,4-dichlorophenyl)sulfonylamino]acetate.

Molecular Properties

Compound Name[2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 2-[(3,4-dichlorophenyl)sulfonylamino]acetate
PubChem CID55324334
Molecular FormulaC18H17Cl2N3O6S
Molecular Weight474.32 g/mol
Exact Mass473.02
IUPAC Name[2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 2-[(3,4-dichlorophenyl)sulfonylamino]acetate
SMILESCNC(=O)NC(=O)C(OC(=O)CNS(=O)(=O)c1ccc(Cl)c(Cl)c1)c1ccccc1
InChIInChI=1S/C18H17Cl2N3O6S/c1-21-18(26)23-17(25)16(11-5-3-2-4-6-11)29-15(24)10-22-30(27,28)12-7-8-13(19)14(20)9-12/h2-9,16,22H,10H2,1H3,(H2,21,23,25,26)
InChIKeyLAHLKXOELLXDAT-UHFFFAOYSA-N
XLogP2.01
TPSA130.67 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.32
LogP ≤ 52.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze [2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 2-[(3,4-dichlorophenyl)sulfonylamino]acetate with MolForge

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Related Compounds

[(1S)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] (3R)-3-phenylbutanoate
CID 7228141
(1-amino-1-oxopropan-2-yl) 2-[(3,4-dichlorophenyl)sulfonylamino]acetate
CID 46794901
[(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 2-(2-chloro-5-methylphenoxy)acetate
CID 7234853
[(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 2-methoxyacetate
CID 7776199
[1-(2-methoxyanilino)-1-oxopropan-2-yl] 2-[(3,4-dichlorophenyl)sulfonylamino]acetate
CID 55324559
[(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 2-(3-chlorophenoxy)acetate
CID 7804009
[1-oxo-1-[2-(trifluoromethyl)anilino]propan-2-yl] 2-[(3,4-dichlorophenyl)sulfonylamino]acetate
CID 46621713
[(1S)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 2-(2-fluorophenyl)sulfanylacetate
CID 7676495
[(1S)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 2-(2-methylphenyl)sulfanylacetate
CID 7229689
[(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 2-naphthalen-2-ylsulfanylacetate
CID 7795814
[(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 2-(thiophene-2-carbonylamino)acetate
CID 7808145
[2-(N-methylanilino)-2-oxoethyl] 2-[(3,4-dichlorophenyl)sulfonylamino]acetate
CID 46794889

Frequently Asked Questions

What is the IUPAC name of [2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 2-[(3,4-dichlorophenyl)sulfonylamino]acetate?
The IUPAC name of [2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 2-[(3,4-dichlorophenyl)sulfonylamino]acetate (CID 55324334) is [2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 2-[(3,4-dichlorophenyl)sulfonylamino]acetate.
What is the SMILES notation for [2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 2-[(3,4-dichlorophenyl)sulfonylamino]acetate?
The canonical SMILES for [2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 2-[(3,4-dichlorophenyl)sulfonylamino]acetate is CNC(=O)NC(=O)C(OC(=O)CNS(=O)(=O)c1ccc(Cl)c(Cl)c1)c1ccccc1.
What is the InChIKey of [2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 2-[(3,4-dichlorophenyl)sulfonylamino]acetate?
The InChIKey is LAHLKXOELLXDAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17Cl2N3O6S/c1-21-18(26)23-17(25)16(11-5-3-2-4-6-11)29-15(24)10-22-30(27,28)12-7-8-13(19)14(20)9-12/h2-9,16,22H,10H2,1H3,(H2,21,23,25,26).
What are the key properties of [2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 2-[(3,4-dichlorophenyl)sulfonylamino]acetate?
[2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 2-[(3,4-dichlorophenyl)sulfonylamino]acetate has a molecular weight of 474.32 g/mol, XLogP of 2.01, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 2-[(3,4-dichlorophenyl)sulfonylamino]acetate is sourced from PubChem (CID 55324334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).